6KBF
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-04-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.932, 70.822, 101.125 |
| Unit cell angles | 90.00, 111.45, 90.00 |
Refinement procedure
| Resolution | 43.845 - 1.920 |
| R-factor | 0.182 |
| Rwork | 0.180 |
| R-free | 0.21610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ycv |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.070 | 47.070 | 1.970 |
| High resolution limit [Å] | 1.920 | 8.590 | 1.920 |
| Rmerge | 0.114 | 0.040 | 1.313 |
| Number of reflections | 87690 | 1034 | 5919 |
| <I/σ(I)> | 8.7 | ||
| Completeness [%] | 99.2 | 98.2 | 91.7 |
| Redundancy | 6.6 | 6.1 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | tri-sodium citrate, PEG 3350 |
